3-amino-5-ethylthiophene-2-carbonitrile

C7H8N2S — CID 27281498

IUPAC3-amino-5-ethylthiophene-2-carbonitrile
SMILESCCc1cc(N)c(C#N)s1
InChIInChI=1S/C7H8N2S/c1-2-5-3-6(9)7(4-8)10-5/h3H,2,9H2,1H3
InChIKeyPQXPICLTROUJKX-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.76
Rot. Bonds1

About 3-amino-5-ethylthiophene-2-carbonitrile

3-amino-5-ethylthiophene-2-carbonitrile (PubChem CID 27281498) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 3-amino-5-ethylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-ethylthiophene-2-carbonitrile
PubChem CID27281498
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name3-amino-5-ethylthiophene-2-carbonitrile
SMILESCCc1cc(N)c(C#N)s1
InChIInChI=1S/C7H8N2S/c1-2-5-3-6(9)7(4-8)10-5/h3H,2,9H2,1H3
InChIKeyPQXPICLTROUJKX-UHFFFAOYSA-N
XLogP1.76
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-ethylthiophene-2-carbonitrile (CID 27281498) is 3-amino-5-ethylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-ethylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-ethylthiophene-2-carbonitrile is CCc1cc(N)c(C#N)s1.
What is the InChIKey of 3-amino-5-ethylthiophene-2-carbonitrile?
The InChIKey is PQXPICLTROUJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-2-5-3-6(9)7(4-8)10-5/h3H,2,9H2,1H3.
What are the key properties of 3-amino-5-ethylthiophene-2-carbonitrile?
3-amino-5-ethylthiophene-2-carbonitrile has a molecular weight of 152.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethylthiophene-2-carbonitrile is sourced from PubChem (CID 27281498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).